High Pressure Densities and Derived Thermodynamic Properties of Pure (1R)-(+)-α-Pinene, (1S)-(−)-β-Pinene, and Linalool: Experiment and Modeling
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2024
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Terpenes usually found in plants have a wide range of applications, especially as additives in various types of fuels, and most recently in the aviation industry, where they can be blended with jet fuels or kerosene. In this work, the densities of pure terpenes (1R)-(+)-α-pinene, (1S)-(−)-β-pinene, and linalool were measured over the temperature range T = (293.15 to 413.15) K and at high pressures p = (0.1 to 60) MPa. The experimental density data were fitted by the modified Tammann-Tait equation where the absolute average percentage deviation between measured and calculated densities was less than 0.02%, the percentage maximum deviation was less than 0.2%, and the average percentage deviation was less than 0.02% for all three measured terpenes. The obtained parameters were used to determine isothermal compressibility (κT), isobaric thermal expansivity (αp), internal pressure (pint), and the difference between specific heat capacity at constant pressure (cp) and constant volume (cv). F...urthermore, the PC-SAFT model was applied for liquid density prediction at high pressures. Derived thermodynamic properties such as isothermal compressibility and isobaric thermal expansivity increase as temperature increases and decrease with pressure for all of the studied compounds.
Извор:
Journal of Chemical and Engineering Data, 2024, 69, 3, 854-863Издавач:
- American Chemical Society
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200135 (Универзитет у Београду, Технолошко-металуршки факултет) (RS-MESTD-inst-2020-200135)
Напомена:
- Published as part of Journal of Chemical & Engineering Data virtual special issue “Proceedings of PPEPPD 2023”.
DOI: 10.1021/acs.jced.3c00582
ISSN: 0021-9568
WoS: 001162189800001
Scopus: 2-s2.0-85182579578
Колекције
Институција/група
Tehnološko-metalurški fakultetTY - JOUR AU - Grozdanić, Nikola AU - Simić, Zoran AU - Kijevčanin, Mirjana AU - Radović, Ivona PY - 2024 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/7150 AB - Terpenes usually found in plants have a wide range of applications, especially as additives in various types of fuels, and most recently in the aviation industry, where they can be blended with jet fuels or kerosene. In this work, the densities of pure terpenes (1R)-(+)-α-pinene, (1S)-(−)-β-pinene, and linalool were measured over the temperature range T = (293.15 to 413.15) K and at high pressures p = (0.1 to 60) MPa. The experimental density data were fitted by the modified Tammann-Tait equation where the absolute average percentage deviation between measured and calculated densities was less than 0.02%, the percentage maximum deviation was less than 0.2%, and the average percentage deviation was less than 0.02% for all three measured terpenes. The obtained parameters were used to determine isothermal compressibility (κT), isobaric thermal expansivity (αp), internal pressure (pint), and the difference between specific heat capacity at constant pressure (cp) and constant volume (cv). Furthermore, the PC-SAFT model was applied for liquid density prediction at high pressures. Derived thermodynamic properties such as isothermal compressibility and isobaric thermal expansivity increase as temperature increases and decrease with pressure for all of the studied compounds. PB - American Chemical Society T2 - Journal of Chemical and Engineering Data T1 - High Pressure Densities and Derived Thermodynamic Properties of Pure (1R)-(+)-α-Pinene, (1S)-(−)-β-Pinene, and Linalool: Experiment and Modeling EP - 863 IS - 3 SP - 854 VL - 69 DO - 10.1021/acs.jced.3c00582 ER -
@article{ author = "Grozdanić, Nikola and Simić, Zoran and Kijevčanin, Mirjana and Radović, Ivona", year = "2024", abstract = "Terpenes usually found in plants have a wide range of applications, especially as additives in various types of fuels, and most recently in the aviation industry, where they can be blended with jet fuels or kerosene. In this work, the densities of pure terpenes (1R)-(+)-α-pinene, (1S)-(−)-β-pinene, and linalool were measured over the temperature range T = (293.15 to 413.15) K and at high pressures p = (0.1 to 60) MPa. The experimental density data were fitted by the modified Tammann-Tait equation where the absolute average percentage deviation between measured and calculated densities was less than 0.02%, the percentage maximum deviation was less than 0.2%, and the average percentage deviation was less than 0.02% for all three measured terpenes. The obtained parameters were used to determine isothermal compressibility (κT), isobaric thermal expansivity (αp), internal pressure (pint), and the difference between specific heat capacity at constant pressure (cp) and constant volume (cv). Furthermore, the PC-SAFT model was applied for liquid density prediction at high pressures. Derived thermodynamic properties such as isothermal compressibility and isobaric thermal expansivity increase as temperature increases and decrease with pressure for all of the studied compounds.", publisher = "American Chemical Society", journal = "Journal of Chemical and Engineering Data", title = "High Pressure Densities and Derived Thermodynamic Properties of Pure (1R)-(+)-α-Pinene, (1S)-(−)-β-Pinene, and Linalool: Experiment and Modeling", pages = "863-854", number = "3", volume = "69", doi = "10.1021/acs.jced.3c00582" }
Grozdanić, N., Simić, Z., Kijevčanin, M.,& Radović, I.. (2024). High Pressure Densities and Derived Thermodynamic Properties of Pure (1R)-(+)-α-Pinene, (1S)-(−)-β-Pinene, and Linalool: Experiment and Modeling. in Journal of Chemical and Engineering Data American Chemical Society., 69(3), 854-863. https://doi.org/10.1021/acs.jced.3c00582
Grozdanić N, Simić Z, Kijevčanin M, Radović I. High Pressure Densities and Derived Thermodynamic Properties of Pure (1R)-(+)-α-Pinene, (1S)-(−)-β-Pinene, and Linalool: Experiment and Modeling. in Journal of Chemical and Engineering Data. 2024;69(3):854-863. doi:10.1021/acs.jced.3c00582 .
Grozdanić, Nikola, Simić, Zoran, Kijevčanin, Mirjana, Radović, Ivona, "High Pressure Densities and Derived Thermodynamic Properties of Pure (1R)-(+)-α-Pinene, (1S)-(−)-β-Pinene, and Linalool: Experiment and Modeling" in Journal of Chemical and Engineering Data, 69, no. 3 (2024):854-863, https://doi.org/10.1021/acs.jced.3c00582 . .